Does quantum espresso and EPW have "massive parallelism"

General discussion around the EPW software

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topgun
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Joined: Thu Aug 03, 2017 1:23 pm
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Does quantum espresso and EPW have "massive parallelism"

Post by topgun »

dear all,

Does quantum espresso and EPW have "massive parallelism" runnable versions.
Does QE have GPU implimentation.

REGARDS
TOP GUN
sponce
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Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Does quantum espresso and EPW have "massive parallelism"

Post by sponce »

Dear topgun,

It depends what you mean by this. QE and EPW can be run with MPI using ~1000 cores relatively efficiently.

QE does have a GPU implementation but I'm not really aware of its status and EPW for sure does not have a GPU implementation.

Best,
Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
topgun
Posts: 36
Joined: Thu Aug 03, 2017 1:23 pm
Affiliation:

Re: Does quantum espresso and EPW have "massive parallelism"

Post by topgun »

Dear sir,

What do you mean by the "status" of QE.
I simply wanted to know if QE can be run using GPU.
"Ofcourse QE can be run using hundred of CPU in parallel "
My query is about GPU not CPU


TOP GUN
sponce
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Posts: 616
Joined: Wed Jan 13, 2016 7:25 pm
Affiliation: EPFL

Re: Does quantum espresso and EPW have "massive parallelism"

Post by sponce »

Hello,

In your original question, you had two questions: one on parallelism and one on GPU.

By status I mean that I never tried to run QE with GPU. From what I heard, I guess it should work for basic functionalities like scf calculation but
probably it is not working for other more advanced features.

In any case, you should ask on the QE mailing list to be sure.

Best,
Samuel
Prof. Samuel Poncé
Chercheur qualifié F.R.S.-FNRS / Professeur UCLouvain
Institute of Condensed Matter and Nanosciences
UCLouvain, Belgium
Web: https://www.samuelponce.com
topgun
Posts: 36
Joined: Thu Aug 03, 2017 1:23 pm
Affiliation:

Re: Does quantum espresso and EPW have "massive parallelism"

Post by topgun »

dear sponce,

Actually I meant only GPU based parallelism i.e only one question.
Thank you for the info that "it runs in GPU for basic features only and not for advanced features".

I will confirm it from QE.

regards
top gun
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